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Information card for entry 2100397
Preview
| Coordinates | 2100397.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C48 H108 O20 P4 Re4 U |
|---|---|
| Calculated formula | C48 H108 O20 P4 Re4 U |
| SMILES | [U](O[Re](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Re](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Re](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Re](=O)(=O)=O)[O]=P(CCCC)(CCCC)CCCC |
| Title of publication | Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) |
| Authors of publication | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 1 |
| Pages of publication | 68 - 85 |
| a | 21.4 ± 0.02 Å |
| b | 21.68 ± 0.02 Å |
| c | 14.78 ± 0.02 Å |
| α | 90° |
| β | 90 ± 0.03° |
| γ | 90° |
| Cell volume | 6857 ± 13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.